methyl 5-(3-fluoro-2-methylphenyl)-2-(4-fluoro-2-methylphenyl)-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxylate

C22H19F2NO2S — CID 118559916

IUPACmethyl 5-(3-fluoro-2-methylphenyl)-2-(4-fluoro-2-methylphenyl)-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxylate
SMILESCOC(=O)C1(c2cccc(F)c2C)Cc2nc(-c3ccc(F)cc3C)sc2C1
InChIInChI=1S/C22H19F2NO2S/c1-12-9-14(23)7-8-15(12)20-25-18-10-22(21(26)27-3,11-19(18)28-20)16-5-4-6-17(24)13(16)2/h4-9H,10-11H2,1-3H3
InChIKeyMQTPLMDCVRDBDM-UHFFFAOYSA-N
MW399.46 g/mol
LogP4.91
Rot. Bonds3

About methyl 5-(3-fluoro-2-methylphenyl)-2-(4-fluoro-2-methylphenyl)-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxylate

methyl 5-(3-fluoro-2-methylphenyl)-2-(4-fluoro-2-methylphenyl)-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxylate (PubChem CID 118559916) has the molecular formula C22H19F2NO2S and a molecular weight of 399.46 g/mol. Its IUPAC name is methyl 5-(3-fluoro-2-methylphenyl)-2-(4-fluoro-2-methylphenyl)-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 5-(3-fluoro-2-methylphenyl)-2-(4-fluoro-2-methylphenyl)-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxylate
PubChem CID118559916
Molecular FormulaC22H19F2NO2S
Molecular Weight399.46 g/mol
Exact Mass399.11
IUPAC Namemethyl 5-(3-fluoro-2-methylphenyl)-2-(4-fluoro-2-methylphenyl)-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxylate
SMILESCOC(=O)C1(c2cccc(F)c2C)Cc2nc(-c3ccc(F)cc3C)sc2C1
InChIInChI=1S/C22H19F2NO2S/c1-12-9-14(23)7-8-15(12)20-25-18-10-22(21(26)27-3,11-19(18)28-20)16-5-4-6-17(24)13(16)2/h4-9H,10-11H2,1-3H3
InChIKeyMQTPLMDCVRDBDM-UHFFFAOYSA-N
XLogP4.91
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.46
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(3-fluoro-2-methylphenyl)-2-(4-fluoro-2-methylphenyl)-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxylate?
The IUPAC name of methyl 5-(3-fluoro-2-methylphenyl)-2-(4-fluoro-2-methylphenyl)-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxylate (CID 118559916) is methyl 5-(3-fluoro-2-methylphenyl)-2-(4-fluoro-2-methylphenyl)-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxylate.
What is the SMILES notation for methyl 5-(3-fluoro-2-methylphenyl)-2-(4-fluoro-2-methylphenyl)-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxylate?
The canonical SMILES for methyl 5-(3-fluoro-2-methylphenyl)-2-(4-fluoro-2-methylphenyl)-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxylate is COC(=O)C1(c2cccc(F)c2C)Cc2nc(-c3ccc(F)cc3C)sc2C1.
What is the InChIKey of methyl 5-(3-fluoro-2-methylphenyl)-2-(4-fluoro-2-methylphenyl)-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxylate?
The InChIKey is MQTPLMDCVRDBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2NO2S/c1-12-9-14(23)7-8-15(12)20-25-18-10-22(21(26)27-3,11-19(18)28-20)16-5-4-6-17(24)13(16)2/h4-9H,10-11H2,1-3H3.
What are the key properties of methyl 5-(3-fluoro-2-methylphenyl)-2-(4-fluoro-2-methylphenyl)-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxylate?
methyl 5-(3-fluoro-2-methylphenyl)-2-(4-fluoro-2-methylphenyl)-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxylate has a molecular weight of 399.46 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(3-fluoro-2-methylphenyl)-2-(4-fluoro-2-methylphenyl)-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxylate is sourced from PubChem (CID 118559916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).